(4E,6E)-9-bromo-2,4,6-trimethylnona-2,4,6-triene

C12H19Br — CID 59405765

IUPAC(4E,6E)-9-bromo-2,4,6-trimethylnona-2,4,6-triene
SMILESCC(C)=C/C(C)=C/C(C)=C/CCBr
InChIInChI=1S/C12H19Br/c1-10(2)8-12(4)9-11(3)6-5-7-13/h6,8-9H,5,7H2,1-4H3/b11-6+,12-9+
InChIKeyQUUYFBYPVWAJQQ-MOPWJCKASA-N
MW243.19 g/mol
LogP4.63
Rot. Bonds4

About (4E,6E)-9-bromo-2,4,6-trimethylnona-2,4,6-triene

(4E,6E)-9-bromo-2,4,6-trimethylnona-2,4,6-triene (PubChem CID 59405765) has the molecular formula C12H19Br and a molecular weight of 243.19 g/mol. Its IUPAC name is (4E,6E)-9-bromo-2,4,6-trimethylnona-2,4,6-triene.

Molecular Properties

Compound Name(4E,6E)-9-bromo-2,4,6-trimethylnona-2,4,6-triene
PubChem CID59405765
Molecular FormulaC12H19Br
Molecular Weight243.19 g/mol
Exact Mass242.07
IUPAC Name(4E,6E)-9-bromo-2,4,6-trimethylnona-2,4,6-triene
SMILESCC(C)=C/C(C)=C/C(C)=C/CCBr
InChIInChI=1S/C12H19Br/c1-10(2)8-12(4)9-11(3)6-5-7-13/h6,8-9H,5,7H2,1-4H3/b11-6+,12-9+
InChIKeyQUUYFBYPVWAJQQ-MOPWJCKASA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E,6E)-9-bromo-2,4,6-trimethylnona-2,4,6-triene?
The IUPAC name of (4E,6E)-9-bromo-2,4,6-trimethylnona-2,4,6-triene (CID 59405765) is (4E,6E)-9-bromo-2,4,6-trimethylnona-2,4,6-triene.
What is the SMILES notation for (4E,6E)-9-bromo-2,4,6-trimethylnona-2,4,6-triene?
The canonical SMILES for (4E,6E)-9-bromo-2,4,6-trimethylnona-2,4,6-triene is CC(C)=C/C(C)=C/C(C)=C/CCBr.
What is the InChIKey of (4E,6E)-9-bromo-2,4,6-trimethylnona-2,4,6-triene?
The InChIKey is QUUYFBYPVWAJQQ-MOPWJCKASA-N. The full InChI is InChI=1S/C12H19Br/c1-10(2)8-12(4)9-11(3)6-5-7-13/h6,8-9H,5,7H2,1-4H3/b11-6+,12-9+.
What are the key properties of (4E,6E)-9-bromo-2,4,6-trimethylnona-2,4,6-triene?
(4E,6E)-9-bromo-2,4,6-trimethylnona-2,4,6-triene has a molecular weight of 243.19 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-9-bromo-2,4,6-trimethylnona-2,4,6-triene is sourced from PubChem (CID 59405765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).